UT theoretical chemistry code forum

Thanks a lot for the answer,
I'll do some simulations following your suggestions and let you know the outcomes in a next reply.

Hello everyone,

I am a beginner user of VTST. I'm looking for TS of interstitial in fcc systems.
To determine in one simulation the migration energy and the transition state I used vasp compiled with vtst.
I used 2 optimizers FIRE and LBFGS. Both simulations converged to the minimization criterions ...